[4-ethyl-4-[(phenylmethyl)amino]hex-2-ynyl] benzoate

Systemtic Name: [4-ethyl-4-[(phenylmethyl)amino]hex-2-ynyl] benzoate Openeye Name: [4-(benzylamino)-4-ethyl-hex-2-ynyl] benzoate CAS Name: benzoic acid [4-ethyl-4-[(phenylmethyl)amino]hex-2-ynyl] ester IUPAC Name: [4-(benzylamino)-4-ethylhex-2-ynyl] benzoate Traditional Name: benzoic acid [4-(benzylamino)-4-ethyl-hex-2-ynyl] ester Formula: C22H25NO2 MolecularWeight: 335.4394

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#CCOC(=O)C1=CC=CC=C1)NCC2=CC=CC=C2

Isomeric SMILES

CCC(CC)(C#CCOC(=O)C1=CC=CC=C1)NCC2=CC=CC=C2

InChI

InChI=1S/C22H25NO2/c1-3-22(4-2,23-18-19-12-7-5-8-13-19)16-11-17-25-21(24)20-14-9-6-10-15-20/h5-10,12-15,23H,3-4,17-18H2,1-2H3